butaprost

Ligand id: 3379

Name: butaprost

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 83.83
Molecular weight 408.29
XLogP 4.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-en-1-yl]-5-oxocyclopentyl]heptanoate
International Nonproprietary Names
INN number INN
5927 butaprost
Database Links
CAS Registry No. 69648-38-0 (source: Scifinder)
ChEMBL Ligand CHEMBL271896
PubChem CID 5311035
Search Google for chemical match using the InChIKey XRISENIKJUKIHD-LHQZMKCDSA-N
Search Google for chemicals with the same backbone XRISENIKJUKIHD
Search PubMed clinical trials butaprost
Search PubMed titles butaprost
Search PubMed titles/abstracts butaprost
Search UniChem for chemical match using the InChIKey XRISENIKJUKIHD-LHQZMKCDSA-N
Search UniChem for chemicals with the same backbone XRISENIKJUKIHD
Comments
The structure of butaprost shown on this ligand entry is the same as that of the INN-assigned structure. A second form of the ligand, butaprost (free acid form) is often used experimentally and is also listed on our website. Representations of butaprost on other databases and in the literature may show the free acid form.